2-[benzenesulfonyl(methyl)amino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide

C21H24N4O4S — CID 2219904

IUPAC2-[benzenesulfonyl(methyl)amino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H24N4O4S/c1-16(2)25(14-19-22-21(23-29-19)17-10-6-4-7-11-17)20(26)15-24(3)30(27,28)18-12-8-5-9-13-18/h4-13,16H,14-15H2,1-3H3
InChIKeyFHFOOGKQDJFVIQ-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.79
Rot. Bonds8

About 2-[benzenesulfonyl(methyl)amino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide

2-[benzenesulfonyl(methyl)amino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide (PubChem CID 2219904) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
PubChem CID2219904
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H24N4O4S/c1-16(2)25(14-19-22-21(23-29-19)17-10-6-4-7-11-17)20(26)15-24(3)30(27,28)18-12-8-5-9-13-18/h4-13,16H,14-15H2,1-3H3
InChIKeyFHFOOGKQDJFVIQ-UHFFFAOYSA-N
XLogP2.79
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide
CID 2986589
(4-Fluorobenzyl)methyl[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amine
CID 23723829
2,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)propanamide
CID 1257973
2-Methyl-1-(4-{3-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,2,4]oxadiazol-5-yl}-piperidin-1-yl)-propan-1-one
CID 1453639
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 2216008
N-isopropyl-2-[(4-methylphenyl)thio]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 2219800
N~2~-[(4-bromophenyl)sulfonyl]-N~1~-isopropyl-N~2~-methyl-N~1~-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]glycinamide
CID 2233633
N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 2243647
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)benzenesulfonamide
CID 2989398
2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 2990518
N-cyclohexyl-4-methyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide
CID 8087367
4-chloro-N-cyclohexyl-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide
CID 16013441

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide (CID 2219904) is 2-[benzenesulfonyl(methyl)amino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide is CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CN(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide?
The InChIKey is FHFOOGKQDJFVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-16(2)25(14-19-22-21(23-29-19)17-10-6-4-7-11-17)20(26)15-24(3)30(27,28)18-12-8-5-9-13-18/h4-13,16H,14-15H2,1-3H3.
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide?
2-[benzenesulfonyl(methyl)amino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide has a molecular weight of 428.51 g/mol, XLogP of 2.79, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 2219904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).